3-(4-chlorophenyl)propane-1-sulfonyl chloride

C9H10Cl2O2S — CID 23081194

IUPAC3-(4-chlorophenyl)propane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCc1ccc(Cl)cc1
InChIInChI=1S/C9H10Cl2O2S/c10-9-5-3-8(4-6-9)2-1-7-14(11,12)13/h3-6H,1-2,7H2
InChIKeyNWQOUCYFULHGHS-UHFFFAOYSA-N
MW253.15 g/mol
LogP2.84
Rot. Bonds4

About 3-(4-chlorophenyl)propane-1-sulfonyl chloride

3-(4-chlorophenyl)propane-1-sulfonyl chloride (PubChem CID 23081194) has the molecular formula C9H10Cl2O2S and a molecular weight of 253.15 g/mol. Its IUPAC name is 3-(4-chlorophenyl)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(4-chlorophenyl)propane-1-sulfonyl chloride
PubChem CID23081194
Molecular FormulaC9H10Cl2O2S
Molecular Weight253.15 g/mol
Exact Mass251.98
IUPAC Name3-(4-chlorophenyl)propane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCc1ccc(Cl)cc1
InChIInChI=1S/C9H10Cl2O2S/c10-9-5-3-8(4-6-9)2-1-7-14(11,12)13/h3-6H,1-2,7H2
InChIKeyNWQOUCYFULHGHS-UHFFFAOYSA-N
XLogP2.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.15
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)propane-1-sulfonate
CID 23047341
2-[3-(4-chlorophenyl)propylsulfonyl]ethanol
CID 71972664
4-(3-chloro-4-fluorophenyl)butane-1-sulfonyl chloride
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4-(4-propan-2-ylphenyl)butane-1-sulfonyl chloride
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4-phenylbutane-1-sulfonyl chloride
CID 13237419
3-(4-ethoxyphenyl)propane-1-sulfonyl chloride
CID 98790103
2-[4-[3-(4-chlorophenyl)sulfonylpropyl]phenyl]acetic acid
CID 15612083
3-[4-(4-chlorophenyl)sulfonylphenyl]propan-1-amine
CID 170878584
1-chloro-4-(2-chlorosulfonyloxyethyl)benzene
CID 88684759
1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene
CID 5128073
6-(4-butylphenoxy)hexane-1-sulfonyl chloride
CID 115493524
3-[3-(4-chlorophenyl)propylsulfonyl]-2-methyloxolane
CID 75431964

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)propane-1-sulfonyl chloride?
The IUPAC name of 3-(4-chlorophenyl)propane-1-sulfonyl chloride (CID 23081194) is 3-(4-chlorophenyl)propane-1-sulfonyl chloride.
What is the SMILES notation for 3-(4-chlorophenyl)propane-1-sulfonyl chloride?
The canonical SMILES for 3-(4-chlorophenyl)propane-1-sulfonyl chloride is O=S(=O)(Cl)CCCc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)propane-1-sulfonyl chloride?
The InChIKey is NWQOUCYFULHGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O2S/c10-9-5-3-8(4-6-9)2-1-7-14(11,12)13/h3-6H,1-2,7H2.
What are the key properties of 3-(4-chlorophenyl)propane-1-sulfonyl chloride?
3-(4-chlorophenyl)propane-1-sulfonyl chloride has a molecular weight of 253.15 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)propane-1-sulfonyl chloride is sourced from PubChem (CID 23081194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).